4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside structure

4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside

N-[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Also Known As: 4-METHYL-UMBELLIFERYL-N-ACETYL-CHITOBIOSE|4-Methylumbelliferyl Di-N-Acetyl-b-D-chitobiose|4-Methylumbelliferyl b-D-N,N'-diacetyl-chitobioside|4-Methylumbelliferyl N,N-diacetyl-b-D-chitobioside|4-Methylumbelliferyl beta-D-N,N'-diacetylchitobioside|4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside|4-methylumbelliferyl-beta-d-N,N'-diacetylchitobioside|4-Methylumbelliferyl-N,N-diacetyl-beta-D-chitobioside|4-METHYLUMBELLIFERYLBETA-D-N,N-DIACETYL-CHITOBIOSIDE|4-Methylumbelliferyl |A-D-N,N inverted exclamation marka-diacetylchitobioside hydrate|4-Methylumbelliferyl beta-D-N,N'-diacetylchitobioside hydrate, >=98% (TLC)|4-Methylumbelliferyl-N,N inverted exclamation marka-diacetyl-|A-D-chitobioside hydrate|GUM|N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide|N-[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

CAS: 53643-12-2
Molecular Formula C26H34N2O13
Molecular Weight 582.2061 g/mol
LogP -2.60808
Topological Polar Surface Area 226.48 Ų
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 13
Rotatable Bonds 8
Exact Mass 582.2061
Monoisotopic Mass 582.2061
Heavy Atoms 41
Complexity 1301.8679

Chemical Identifiers

CAS Number 53643-12-2
SMILES CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)NC(=O)C)O)NC(=O)C

Product Overview

4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside (CAS 53643-12-2), with molecular formula C26H34N2O13 and molecular weight 582.2061 g/mol. IUPAC: N-[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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